CAS Number: 81777-89-1
SMILES : O1CC(C)(C)C(=O)N1Cc2ccccc2CL
CHEM   : Clomazone
MOL FOR: C12 H14 CL1 N1 O2 
MOL WT : 239.70
------------------------------ EPI SUMMARY (v4.11) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.68 estimate) =  2.86
    Log Kow (Exper. database match) =  2.50
       Exper. Ref:  TOMLIN,C (1994)
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  359.07  (Adapted Stein & Brown method)
    Melting Pt (deg C):  132.37  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00701  (Mean VP of Antoine & Grain methods)
    VP (Pa, 25 deg C) :  0.935  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  25 deg C
    BP  (exp database):  275 deg C
    VP  (exp database):  1.44E-04 mm Hg (1.92E-002 Pa) at 25 deg C
 
 Water Solubility Estimate from Log Kow (WSKOW v1.42):
    Water Solubility at 25 deg C (mg/L):  197.5
       log Kow used: 2.50 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  1100 mg/L (25 deg C)
        Exper. Ref:  SHIU,WY ET AL. (1990)
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  169.18 mg/L
 
 ECOSAR Class Program (ECOSAR v1.11):
    Class(es) found:
       Amides 
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   7.32E-010  atm-m3/mole  (7.42E-005 Pa-m3/mole)
   Group Method:   Incomplete
   Exper Database: 4.13E-08  atm-m3/mole  (4.18E-003 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  1.119E-005 atm-m3/mole  (1.134E+000 Pa-m3/mole)
      VP:   0.00701 mm Hg (source: MPBPVP)
      WS:   198 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  2.50  (exp database)
  Log Kaw used:  -5.773  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  8.273
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.2671
   Biowin2 (Non-Linear Model)     :   0.0158
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2507  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.1831  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.0705
   Biowin6 (MITI Non-Linear Model):   0.0270
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.5686
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.0192 Pa (0.000144 mm Hg)
  Log Koa (Koawin est  ): 8.273
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000156 
       Octanol/air (Koa) model:  4.6E-005 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.00561 
       Mackay model           :  0.0123 
       Octanol/air (Koa) model:  0.00367 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.9809 E-12 cm3/molecule-sec
      Half-Life =     0.487 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.839 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi):
      0.00898 (Junge-Pankow, Mackay avg)
      0.00367 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  1869  L/kg (MCI method)
      Log Koc:  3.272       (MCI method)
      Koc    :  191.6  L/kg (Kow method)
      Log Koc:  2.282       (Kow method)
       Experimental Log Koc:  2.44  (database)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
    Rate constants can NOT be estimated for this structure!
 
 Bioaccumulation Estimates (BCFBAF v3.01):
   Log BCF from regression-based method = 1.317 (BCF = 20.73 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = -0.4162 days (HL = 0.3835 days)
   Log BCF Arnot-Gobas method (upper trophic) = 1.439 (BCF = 27.48)
   Log BAF Arnot-Gobas method (upper trophic) = 1.439 (BAF = 27.48)
       log Kow used: 2.50 (expkow database)
 
 Volatilization from Water:
    Henry LC:  4.13E-008 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River: 2.195E+004  hours   (914.6 days)
    Half-Life from Model Lake : 2.396E+005  hours   (9983 days)
 
 Removal In Wastewater Treatment:
    Total removal:               3.10  percent
    Total biodegradation:        0.10  percent
    Total sludge adsorption:     2.99  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.177           11.7         1000       
   Water     13.9            900          1000       
   Soil      84.4            1.8e+003     1000       
   Sediment  1.47            8.1e+003     0          
     Persistence Time: 1.44e+003 hr